%chk=000267447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267447

0 1
O 3.149988 0.109188 -0.053889
O -0.784070 -2.050703 0.087332
O -4.289755 -0.988524 -0.070141
O -1.096453 2.398338 -1.252219
O -3.325003 -0.278996 1.853996
O 1.271092 -0.116196 1.253680
N -1.183176 0.795642 0.379180
N 1.766237 1.866011 0.149827
C -2.160127 -0.046844 -0.324493
C 3.606404 -1.312045 0.168366
C -1.499076 -1.338844 -0.914662
C 0.527807 2.562010 0.581401
C -0.661746 1.942416 -0.210796
C 3.838609 -1.509651 1.655095
C 4.893592 -1.285628 -0.647237
C 2.548147 -2.235892 -0.410839
C -0.601131 -1.003366 -2.096850
C -3.265110 -0.424297 0.661061
C 0.625424 4.050764 0.285305
C 1.999402 0.548088 0.524055
C -5.442006 -1.462387 0.677446
H -2.621931 0.540798 -1.175712
H -2.303192 -2.065735 -1.194259
H 0.385326 2.394541 1.686108
H -0.770895 0.386733 1.232612
H 4.287529 -2.486322 1.867241
H 4.500669 -0.741086 2.071737
H 2.893189 -1.456501 2.222056
H 5.600761 -0.540988 -0.258472
H 4.701856 -1.019699 -1.695073
H 5.390701 -2.261913 -0.632717
H 1.590408 -2.166358 0.139018
H 2.332840 -2.007211 -1.461209
H 2.860382 -3.285949 -0.359482
H 2.376212 2.328736 -0.521427
H 0.177517 -0.274697 -1.840827
H -0.098822 -1.906927 -2.465892
H -1.169168 -0.576618 -2.933569
H 0.619938 4.256281 -0.797556
H -0.241827 4.587169 0.698363
H 1.526541 4.501255 0.718727
H 0.026910 -1.556191 0.396547
H -5.154055 -2.352944 1.244858
H -5.805472 -0.675335 1.346435
H -6.162165 -1.694022 -0.114024


%chk=000267447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267447

0 1
O 3.290614 0.148120 -0.009639
O -0.978969 -1.946726 0.271185
O -4.538755 -0.925229 -0.072198
O -0.877494 2.272289 -1.520133
O -3.504705 -0.030158 1.816209
O 1.227312 -0.302488 1.071480
N -1.393206 0.885735 0.291082
N 1.750332 1.793408 0.173160
C -2.361693 0.022832 -0.381826
C 3.843106 -1.271928 0.137565
C -1.677351 -1.324248 -0.852320
C 0.477947 2.451239 0.548340
C -0.673848 1.877883 -0.331488
C 3.943576 -1.628726 1.633547
C 5.233275 -1.129366 -0.505502
C 2.951857 -2.249911 -0.652603
C -0.760756 -1.111566 -2.069264
C -3.498627 -0.283298 0.591441
C 0.604280 3.968699 0.350965
C 2.024907 0.476109 0.460866
C -5.680690 -1.346021 0.777479
H -2.758535 0.546623 -1.269339
H -2.483782 -2.032703 -1.108039
H 0.278196 2.215442 1.611087
H -1.149758 0.621777 1.249909
H 4.453815 -2.603225 1.741408
H 4.536234 -0.869133 2.173549
H 2.945720 -1.700426 2.093229
H 5.832413 -0.371103 0.027247
H 5.145464 -0.826558 -1.563061
H 5.766279 -2.095532 -0.458765
H 1.958905 -2.362933 -0.189985
H 2.826272 -1.902855 -1.693739
H 3.436851 -3.242749 -0.678936
H 2.427409 2.310009 -0.390719
H 0.040631 -0.382592 -1.855997
H -0.295130 -2.075060 -2.341597
H -1.331077 -0.734382 -2.937027
H 0.704136 4.203148 -0.723401
H -0.304821 4.474758 0.716283
H 1.471728 4.367189 0.906194
H -0.184160 -1.394660 0.535413
H -5.333374 -2.041367 1.559500
H -6.144779 -0.465256 1.251849
H -6.377448 -1.838958 0.085692


